Cas no 155628-02-7 (2,2,2-trifluoro-1-(3-isopropylphenyl)ethanone)

2,2,2-Trifluoro-1-(3-isopropylphenyl)ethanone is a fluorinated aromatic ketone characterized by its trifluoromethyl group and isopropyl-substituted phenyl ring. This structure imparts unique electronic and steric properties, making it a valuable intermediate in organic synthesis, particularly in pharmaceuticals and agrochemicals. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the isopropyl moiety influences steric hindrance and reactivity. Its high purity and well-defined molecular structure ensure consistent performance in reactions such as nucleophilic substitutions or carbonyl additions. The compound is particularly useful in the development of fluorinated bioactive molecules, where its stability and reactivity profile contribute to efficient synthetic pathways. Proper handling under inert conditions is recommended due to its sensitivity to moisture and air.
2,2,2-trifluoro-1-(3-isopropylphenyl)ethanone structure
155628-02-7 structure
Product Name:2,2,2-trifluoro-1-(3-isopropylphenyl)ethanone
CAS No:155628-02-7
MF:C11H11F3O
MW:216.199653863907
MDL:MFCD06201806
CID:107083
PubChem ID:2759517
Update Time:2025-05-19

2,2,2-trifluoro-1-(3-isopropylphenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • Ethanone,2,2,2-trifluoro-1-[3-(1-methylethyl)phenyl]-
    • 2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone
    • 2,2,2-Trifluoro-1-(3-isopropylphenyl)ethanone
    • Ethanone, 2,2,2-trifluoro-1-[3-(1-methylethyl)phenyl]- (9CI)
    • CS-0273808
    • SCHEMBL14307709
    • N12314
    • 2,2,2-trifluoro-1-[3-(propan-2-yl)phenyl]ethan-1-one
    • 2,2,2-Trifluoro-1-(3-isopropyl-phenyl)-ethanone
    • AKOS027399031
    • EN300-1938919
    • 3'-isopropyl-2,2,2-trifluoroacetophenone
    • 2,2,2-Trifluoro-1-(3-isopropylphenyl)ethan-1-one
    • DTXSID60374815
    • VQYXARBYTICRRJ-UHFFFAOYSA-N
    • 155628-02-7
    • BDBM50281127
    • 3'-iso-Propyl-2,2,2-trifluoroacetophenone
    • CHEMBL87098
    • FS-5096
    • 2,2,2-trifluoro-1-(3-isopropylphenyl)ethanone
    • MDL: MFCD06201806
    • Inchi: 1S/C11H11F3O/c1-7(2)8-4-3-5-9(6-8)10(15)11(12,13)14/h3-7H,1-2H3
    • InChI Key: VQYXARBYTICRRJ-UHFFFAOYSA-N
    • SMILES: FC(C(C1=CC=CC(=C1)C(C)C)=O)(F)F

Computed Properties

  • Exact Mass: 216.07623
  • Monoisotopic Mass: 216.07619946g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 233
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

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Additional information on 2,2,2-trifluoro-1-(3-isopropylphenyl)ethanone

2,2,2-Trifluoro-1-(3-isopropylphenyl)ethanone: A Comprehensive Overview

The compound 2,2,2-trifluoro-1-(3-isopropylphenyl)ethanone (CAS No. 155628-02-7) is a highly specialized organic molecule with significant applications in various scientific and industrial domains. This compound is characterized by its unique structure, which combines a trifluoromethyl group attached to a ketone functional group and a substituted phenyl ring. The trifluoromethyl group introduces electronic and steric effects that enhance the compound's stability and reactivity in specific chemical environments. The 3-isopropylphenyl group adds further complexity to the molecule, influencing its solubility, volatility, and interaction with other chemical species.

Recent studies have highlighted the potential of 2,2,2-trifluoro-1-(3-isopropylphenyl)ethanone in the field of pharmaceutical chemistry. Researchers have explored its role as a precursor in the synthesis of bioactive compounds, particularly in the development of novel drug candidates targeting specific cellular pathways. The molecule's ability to act as a versatile building block has made it invaluable in medicinal chemistry research. For instance, its use in the construction of heterocyclic compounds has shown promise in inhibiting enzyme activities associated with neurodegenerative diseases.

In addition to its pharmaceutical applications, 2,2,2-trifluoro-1-(3-isopropylphenyl)ethanone has garnered attention in materials science. Its unique electronic properties make it a candidate for use in organic electronics, particularly in the development of semiconducting materials. Recent advancements have demonstrated its potential as an intermediate in the synthesis of polymer-based semiconductors, which are critical components in flexible electronics and optoelectronic devices.

The synthesis of 2,2,2-trifluoro-1-(3-isopropylphenyl)ethanone typically involves multi-step organic reactions that require precise control over reaction conditions. One common approach is the Friedel-Crafts acylation of isopropylbenzene followed by fluorination using electrophilic fluorinating agents. This method ensures high yields and maintains the integrity of the molecule's functional groups. Researchers have also explored alternative synthetic routes to optimize scalability and reduce production costs.

From an environmental perspective, understanding the fate and transport of 2,2,2-trifluoro-1-(3-isopropylphenyl)ethanone is crucial for assessing its potential impact on ecosystems. Studies have shown that the compound exhibits moderate biodegradability under aerobic conditions due to its complex structure. However, its persistence in certain environmental compartments necessitates further investigation to ensure sustainable practices during its production and application.

In conclusion, 2,2,2-trifluoro-1-(3-isopropylphenyl)ethanone (CAS No. 155628-02-7) stands out as a versatile and valuable compound with diverse applications across multiple disciplines. Its unique chemical properties make it an essential tool in modern research and development efforts. As scientific advancements continue to unfold, this compound is expected to play an increasingly significant role in shaping innovative solutions across industries.

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